The determination of molecular properties from MULTIMODE with an application to the calculation of Franck–Condon factors for photoionization of CF 3 to

Extensions to the code MULTIMODE to obtain rovibrational wave functions and properties are described. An application of these new capabilities is made to a calculation of the Franck–Condon factors for photoionization of CF3 to CF. These calculations make use of a new, full-dimensional ab initio potential energy surface, which is also described here.